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CS-W001157 4
Total: USD 88.00

1,2,3,4-Tetrahydro-2-methyl-1,3-dioxoisoquinoline

  • CAS No. 4494-53-5

  • Cat. No. CS-0007566
  • Purity98+%
  • MDL No.MFCD00770324

*For research and further manufacturing use only, not for direct human use.

1,2,3,4-Tetrahydro-2-methyl-1,3-dioxoisoquinoline|CS-0007566

Structure of 4494-53-5

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General Information

  • CAS No. 4494-53-5
  • Cat. No. CS-0007566
  • Purity 98+%
  • MDL No. MFCD00770324
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₉NO₂
  • Molecular Weight 175.18
  • Synonym(s) 2-Methylisoquinoline-1,3(2H,4H)-dione
  • SMILES O=C1N(C)C(CC2=C1C=CC=C2)=O

Synthesis

  • Route1
    • null|null
      501130-44-5
    • ~57%
    • In-stock
      1,2,3,4-Tetrahydro-2-methyl-1,3-dioxoisoquinoline|CS-0007566
      4494-53-5

    References

    • Quiclet-Sire, Beatrice; Zard, Samir Z. Chemical Communications, 2002 , # 20 p. 2306 - 2307
  • Route2

    References

    • American Home Products Patent: US4927831 A1, 1990 ; US 4927831 A
  • Route3
    • In-stock
      Isochroman-1,3-dione|CS-W010863
      703-59-3
    • null|null
      74-89-5
    • ~80%
    • In-stock
      1,2,3,4-Tetrahydro-2-methyl-1,3-dioxoisoquinoline|CS-0007566
      4494-53-5

    References

    • Ling, Ke-Qing; Ye, Jia-Hai; Chen, Xian-Yang; Ma, De-Jian; Xu, Jian-Hua Tetrahedron, 1999 , vol. 55, # 30 p. 9185 - 9204

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.38
  • LogP   0.8413
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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